5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one

C13H15N3O2 — CID 82385180

IUPAC5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC1CC(=O)CC(c2ccc3[nH]c(=O)[nH]c3c2)N1
InChIInChI=1S/C13H15N3O2/c1-7-4-9(17)6-11(14-7)8-2-3-10-12(5-8)16-13(18)15-10/h2-3,5,7,11,14H,4,6H2,1H3,(H2,15,16,18)
InChIKeyPCPDTIDFYSSFNP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.24
Rot. Bonds1

About 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one

5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 82385180) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID82385180
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCC1CC(=O)CC(c2ccc3[nH]c(=O)[nH]c3c2)N1
InChIInChI=1S/C13H15N3O2/c1-7-4-9(17)6-11(14-7)8-2-3-10-12(5-8)16-13(18)15-10/h2-3,5,7,11,14H,4,6H2,1H3,(H2,15,16,18)
InChIKeyPCPDTIDFYSSFNP-UHFFFAOYSA-N
XLogP1.24
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(2-methyl-1,3-dihydroisoindol-5-yl)piperidin-4-one
CID 82385584
2,6-dimethylpiperidin-4-one
CID 11040712
2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carbonitrile
CID 116836992
2-(5-fluoro-1H-indol-6-yl)-6-methylpiperidin-4-one
CID 82384450
2-methyl-6-(1-methyltriazol-4-yl)piperidin-4-one
CID 175903666
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
2,6-bis(3-fluorophenyl)piperidin-4-one
CID 91540482
5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 164752975
trans-(1R,2R)-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 51532166
2-isoquinolin-5-yl-6-methylpiperidin-4-one
CID 82387921
5-[(2-cyclopropylpyrimidin-5-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 154802170
5-[4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 124590121

Frequently Asked Questions

What is the IUPAC name of 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one (CID 82385180) is 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one is CC1CC(=O)CC(c2ccc3[nH]c(=O)[nH]c3c2)N1.
What is the InChIKey of 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PCPDTIDFYSSFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-7-4-9(17)6-11(14-7)8-2-3-10-12(5-8)16-13(18)15-10/h2-3,5,7,11,14H,4,6H2,1H3,(H2,15,16,18).
What are the key properties of 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one?
5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.24, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methyl-4-oxopiperidin-2-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82385180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).